Reaction Details Report a problem with these data
Target
Indoleamine 2,3-dioxygenase 1
Ligand
BDBM347039
Substrate
n/a
Meas. Tech.
IDO1 Enzymatic Assay
IC50
300±n/a nM
Citation
 Li, Q; Gao, D Fused-ring compounds, pharmaceutical composition and uses thereof US Patent  US10202388 Publication Date 2/12/2019 
Target
Name:
Indoleamine 2,3-dioxygenase 1
Synonyms:
I23O1_HUMAN | IDO | IDO-1 | IDO1 | INDO | Indoleamine 2,3-Dioxygenasae (IDO) | Indoleamine 2,3-dioxygenase | Indoleamine-pyrrole 2,3-dioxygenase
Type:
Enzyme
Mol. Mass.:
45330.80
Organism:
Homo sapiens (Human)
Description:
P14902
Residue:
403
Sequence:
MAHAMENSWTISKEYHIDEEVGFALPNPQENLPDFYNDWMFIAKHLPDLIESGQLRERVEKLNMLSIDHLTDHKSQRLARLVLGCITMAYVWGKGHGDVRKVLPRNIAVPYCQLSKKLELPPILVYADCVLANWKKKDPNKPLTYENMDVLFSFRDGDCSKGFFLVSLLVEIAAASAIKVIPTVFKAMQMQERDTLLKALLEIASCLEKALQVFHQIHDHVNPKAFFSVLRIYLSGWKGNPQLSDGLVYEGFWEDPKEFAGGSAGQSSVFQCFDVLLGIQQTAGGGHAAQFLQDMRRYMPPAHRNFLCSLESNPSVREFVLSKGDAGLREAYDACVKALVSLRSYHLQIVTKYILIPASQQPKENKTSEDPSKLEAKGTGGTDLMNFLKTVRSTTEKSLLKEG
  
Inhibitor
Name:
BDBM347039
Synonyms:
US10202388, Compound 52B
Type:
Small organic molecule
Emp. Form.:
C29H31N3O2
Mol. Mass.:
453.5753
SMILES:
OC(CC1c2ccccc2-c2cncn12)C12CC3CC(C1)[C@H](NC(=O)c1ccccc1)C(C3)C2 |r,wD:21.25,TLB:1:15:18:31.32.21,22:21:18:15.16.20,22:21:15.33.20:18.17.32,THB:16:15:18.17.32:21,16:17:15.33.20:21,33:15:18:31.32.21,33:31:18:15.16.20,(-2.86,-1.18,;-2.46,.3,;-3.55,1.39,;-5.04,.99,;-6.5,1.47,;-7.13,2.88,;-8.66,3.04,;-9.56,1.79,;-8.94,.38,;-7.41,.22,;-6.5,-1.02,;-6.5,-2.56,;-5.04,-3.04,;-4.13,-1.79,;-5.04,-.55,;-.97,.7,;-.97,2.24,;.36,3.01,;1.69,2.24,;1.69,.7,;.36,-.07,;2.52,-1.2,;4.01,-1.6,;5.1,-.51,;4.7,.98,;6.59,-.91,;6.99,-2.39,;8.47,-2.79,;9.56,-1.7,;9.16,-.22,;7.68,.18,;1.13,-.56,;1.11,1.85,;-.08,-1.22,)|
Structure:
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